C300-0020 Screening compound: 1,3-dimethyl 5-{3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzene-1,3-dicarboxylate

C300-0020 Screening compound: 1,3-dimethyl 5-{3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzene-1,3-dicarboxylate
C300-0020 Screening compound: 1,3-dimethyl 5-{3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C300-0020
1,3-dimethyl 5-{3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzene-1,3-dicarboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C300-0020

Molecular Formula

C25H25BrN2O8S (C25 H25 BrN2 O8 S)

Compound Name

1,3-dimethyl 5-{3-[(5-bromo-1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-{3-[(5-bromo-1-cyclopropanecarbonyl-23-dihydro-1H-indol-6-yl)sulfonyl]propanamido}benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(CCS(c(cc(c(CC2)c3)N2C(C2CC2)=O)c3Br)(=O)=O)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C25H25BrN2O8S/c1-35-24(31)16-9-17(25(32)36-2)11-18(10-16)27-22(29)6-8-37(33,34)21-13-20-15(12-19(21)26)5-7-28(20)23(30)14-3-4-14/h9-14H,3-8H2,1-2H3,(H,27,29)

InChI Key

AUFKLXYVDWLGBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.45

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.895

Distribution Coefficient, logD

3.895

Water Solubility, LogSw

-4.12

Polar Surface Area

110.702

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with C300-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C300-0020?
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What is the minimum amount of C300-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C300-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C300-0020
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C300-0020 available by request